Geometry & MOs

Info

ID:	138926
PubChem CID:	52444714
Reduced:	SN3O4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	439.192963
ΔH_f, kcal/mol:	-127.71
Dipole, Da:	9.13
IP(EA), eV:	-8.56(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dimethylphenyl)methyl]-1-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C(=O)CN2C3=C(C(=O)N(C2=O)CC4=CC(=CC=C4)OC)SC=C3

DOS

IR

Vibrations